N-[(4-ethoxyphenyl)-(3-iodophenyl)methyl]ethanamine

C17H20INO — CID 43489415

IUPACN-[(4-ethoxyphenyl)-(3-iodophenyl)methyl]ethanamine
SMILESCCNC(c1ccc(OCC)cc1)c1cccc(I)c1
InChIInChI=1S/C17H20INO/c1-3-19-17(14-6-5-7-15(18)12-14)13-8-10-16(11-9-13)20-4-2/h5-12,17,19H,3-4H2,1-2H3
InChIKeyQBXOIHKQJLMTNA-UHFFFAOYSA-N
MW381.26 g/mol
LogP4.39
Rot. Bonds6

About N-[(4-ethoxyphenyl)-(3-iodophenyl)methyl]ethanamine

N-[(4-ethoxyphenyl)-(3-iodophenyl)methyl]ethanamine (PubChem CID 43489415) has the molecular formula C17H20INO and a molecular weight of 381.26 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)-(3-iodophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)-(3-iodophenyl)methyl]ethanamine
PubChem CID43489415
Molecular FormulaC17H20INO
Molecular Weight381.26 g/mol
Exact Mass381.06
IUPAC NameN-[(4-ethoxyphenyl)-(3-iodophenyl)methyl]ethanamine
SMILESCCNC(c1ccc(OCC)cc1)c1cccc(I)c1
InChIInChI=1S/C17H20INO/c1-3-19-17(14-6-5-7-15(18)12-14)13-8-10-16(11-9-13)20-4-2/h5-12,17,19H,3-4H2,1-2H3
InChIKeyQBXOIHKQJLMTNA-UHFFFAOYSA-N
XLogP4.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.26
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-[(3-iodophenyl)-(4-methoxyphenyl)methyl]ethanamine
CID 43489185
N-[(4-ethoxyphenyl)-(3-ethylphenyl)methyl]ethanamine
CID 105018505
N-[(4-ethoxyphenyl)-(3-methoxyphenyl)methyl]ethanamine
CID 43489444
1-[bromo-(4-ethoxyphenyl)methyl]-3-iodobenzene
CID 63437226
N-[(3,4-diethylphenyl)-(3-iodophenyl)methyl]ethanamine
CID 115482284
N-[(3-iodophenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 115854960
N-[(5-bromo-2-ethoxyphenyl)-(3-iodophenyl)methyl]ethanamine
CID 43493535
N-[(4-ethoxyphenyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine
CID 43489450
N-[(2,3-dichlorophenyl)-(3-iodophenyl)methyl]ethanamine
CID 115851391
N-[(3,5-dimethylphenyl)-(3-ethoxyphenyl)methyl]ethanamine
CID 60919282
N-[(4-ethoxyphenyl)-thiophen-3-ylmethyl]ethanamine
CID 43489387
N-[(3-ethoxyphenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 63155416

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)-(3-iodophenyl)methyl]ethanamine?
The IUPAC name of N-[(4-ethoxyphenyl)-(3-iodophenyl)methyl]ethanamine (CID 43489415) is N-[(4-ethoxyphenyl)-(3-iodophenyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-ethoxyphenyl)-(3-iodophenyl)methyl]ethanamine?
The canonical SMILES for N-[(4-ethoxyphenyl)-(3-iodophenyl)methyl]ethanamine is CCNC(c1ccc(OCC)cc1)c1cccc(I)c1.
What is the InChIKey of N-[(4-ethoxyphenyl)-(3-iodophenyl)methyl]ethanamine?
The InChIKey is QBXOIHKQJLMTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20INO/c1-3-19-17(14-6-5-7-15(18)12-14)13-8-10-16(11-9-13)20-4-2/h5-12,17,19H,3-4H2,1-2H3.
What are the key properties of N-[(4-ethoxyphenyl)-(3-iodophenyl)methyl]ethanamine?
N-[(4-ethoxyphenyl)-(3-iodophenyl)methyl]ethanamine has a molecular weight of 381.26 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)-(3-iodophenyl)methyl]ethanamine is sourced from PubChem (CID 43489415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).